Geometry & MOs

Info

ID:

312270

PubChem CID:

126604012

Reduced:

O2N3F4C36H41 (1)

Stoich.:

A2B3C4D36E41 (1)

Weight, g/mol:

636.308739

ΔHf, kcal/mol:

-267.3

Dipole, Da:

4.41

IP(EA), eV:

 -8.75(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCC[C@@H](C2C3=CC=C(C=C3)CN4CCC[C@@H]4C(F)(F)F)C(=O)NC5=CC=CC(=C5)C(C)(C)C

DOS

IR

Vibrations